1,1,3-Trimethyl-5-nitro-3-(4-nitrophenyl)indane

Base Information

• Chemical Name: 1,1,3-Trimethyl-5-nitro-3-(4-nitrophenyl)indane
• CAS No.: 86126-32-1
• Molecular Formula: C18H18N2O4
• Molecular Weight: 326.352
• DSSTox Substance ID: DTXSID10385335
• Nikkaji Number: J2.662.116J
• Mol file: 86126-32-1.mol

Synonyms:1,1,3-trimethyl-5-nitro-3-(4-nitrophenyl)indane;86126-32-1;1,1,3-trimethyl-5-nitro-3-(4-nitrophenyl)-2H-indene;CBMicro_013424;Oprea1_285253;1,1,3-Trimethyl-5-nitro-3-(4-nitro-phenyl)-indan;SCHEMBL11691096;DTXSID10385335;SMSF0004298;AKOS024357547;CB04511;BIM-0013364.P001;1,3,3-Trimethyl-6-nitro-1-(4-nitrophenyl)indan;A853784;AG-690/34159006;1,1,3-trimethyl-5-nitro-3-(4-nitrophenyl)-2,3-dihydro-1H-indene

Chemical Property of 1,1,3-Trimethyl-5-nitro-3-(4-nitrophenyl)indane

Chemical Property:

• XLogP3: 5.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 326.12665706
• Heavy Atom Count: 24
• Complexity: 516

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1(CC(C2=C1C=CC(=C2)[N+](=O)[O-])(C)C3=CC=C(C=C3)[N+](=O)[O-])C

Technology Process of 1,1,3-Trimethyl-5-nitro-3-(4-nitrophenyl)indane

There total 3 articles about 1,1,3-Trimethyl-5-nitro-3-(4-nitrophenyl)indane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 31.0%

1,1,3-trimethyl-3-phenylindane (3910-35-8) → 1,3,3-trimethyl-5-nitro-1-(4-nitrophenyl)-2,3-dihydro-1H-indene (109751-35-1) + 1,3,3-trimethyl-6-nitro-1-(4-nitrophenyl)-2,3-dihydro-1H-indene (86126-32-1)

Guidance literature:

With nitric acid; at 60 ℃; for 6h; Reagent/catalyst; Temperature; Overall yield = 88.7 percent; Autoclave;

Reference yield:

→ 1,3,3-trimethyl-6-nitro-1-(4-nitrophenyl)-2,3-dihydro-1H-indene (86126-32-1)

Guidance literature:

With chloroform; sulfuric acid; nitric acid;

DOI:10.1021/ja01541a039

Reference yield:

→ 1,3,3-trimethyl-6-nitro-1-(4-nitrophenyl)-2,3-dihydro-1H-indene (86126-32-1)

Guidance literature:

upstream raw materials:

1,1,3-trimethyl-3-phenylindane

Downstream raw materials:

6-amino-1-(4'-aminophenyl)-1,3,3-trimethylindane

Refernces

• 1、 Wang,Wu,Shao,Men,Gao. "Separation and crystal structure of two isomeric of 1,3,3-trimethyl-5- nitro-3-(4-nitrophenyl)-2,3-dihydro-1H-indene and 1,3,3-trimethyl-5-nitro-1-(4- nitrophenyl)-2,3-dihydro-1H-indene". . p. 399 - 402. Retrieved 2014/06/09.